2-[(3-chlorophenyl)methylsulfanyl]-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide

C22H27ClN2OS — CID 55753990

IUPAC2-[(3-chlorophenyl)methylsulfanyl]-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
SMILESCc1ccccc1CN1CCC(NC(=O)CSCc2cccc(Cl)c2)CC1
InChIInChI=1S/C22H27ClN2OS/c1-17-5-2-3-7-19(17)14-25-11-9-21(10-12-25)24-22(26)16-27-15-18-6-4-8-20(23)13-18/h2-8,13,21H,9-12,14-16H2,1H3,(H,24,26)
InChIKeyHOJBNOLGTZTNRO-UHFFFAOYSA-N
MW402.99 g/mol
LogP4.66
Rot. Bonds7

About 2-[(3-chlorophenyl)methylsulfanyl]-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide

2-[(3-chlorophenyl)methylsulfanyl]-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide (PubChem CID 55753990) has the molecular formula C22H27ClN2OS and a molecular weight of 402.99 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfanyl]-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfanyl]-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
PubChem CID55753990
Molecular FormulaC22H27ClN2OS
Molecular Weight402.99 g/mol
Exact Mass402.15
IUPAC Name2-[(3-chlorophenyl)methylsulfanyl]-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
SMILESCc1ccccc1CN1CCC(NC(=O)CSCc2cccc(Cl)c2)CC1
InChIInChI=1S/C22H27ClN2OS/c1-17-5-2-3-7-19(17)14-25-11-9-21(10-12-25)24-22(26)16-27-15-18-6-4-8-20(23)13-18/h2-8,13,21H,9-12,14-16H2,1H3,(H,24,26)
InChIKeyHOJBNOLGTZTNRO-UHFFFAOYSA-N
XLogP4.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.99
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 55754018
2-[4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]piperidin-1-yl]acetamide
CID 134047639
N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 26691346
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
2-[(3-chlorophenyl)methylsulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 51168866
1-[(2-chlorophenyl)methyl]-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide
CID 45012752
N-(1-benzylpiperidin-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 8682410
2-[(2-methylphenyl)methylsulfanyl]-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]acetamide
CID 118782853
2-(3-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide
CID 63625205
(2S)-2-[(3-chlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-cyclohexylpropanamide
CID 100548704
N-[1-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46461940
2-[(Z)-(1-amino-2-methylpropylidene)amino]oxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 167988186

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide (CID 55753990) is 2-[(3-chlorophenyl)methylsulfanyl]-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfanyl]-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfanyl]-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide is Cc1ccccc1CN1CCC(NC(=O)CSCc2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfanyl]-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide?
The InChIKey is HOJBNOLGTZTNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2OS/c1-17-5-2-3-7-19(17)14-25-11-9-21(10-12-25)24-22(26)16-27-15-18-6-4-8-20(23)13-18/h2-8,13,21H,9-12,14-16H2,1H3,(H,24,26).
What are the key properties of 2-[(3-chlorophenyl)methylsulfanyl]-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide?
2-[(3-chlorophenyl)methylsulfanyl]-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide has a molecular weight of 402.99 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylsulfanyl]-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 55753990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).